General Information of the Compound
| Compound ID |
CP0254309
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(5-Chloro-thiophen-2-yl)-2,2,4-trimethyl-1,2-dihydro-quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16ClNS
|
||||||||||||||||||
| Molecular Weight |
289.831
|
||||||||||||||||||
| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(Cl)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16ClNS/c1-10-9-16(2,3)18-13-5-4-11(8-12(10)13)14-6-7-15(17)19-14/h4-9,18H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPKGIIOSPYKWAY-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01172, Progesterone receptor